CHEBI:86547 - 3,4,5-trimethoxyacetophenone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,4,5-trimethoxyacetophenone
ChEBI ID CHEBI:86547
Definition A member of the class of acetophenones that is acetophenone substituted by methoxy groups at positions 3, 4 and 5 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H14O4
Net Charge 0
Average Mass 210.22650
Monoisotopic Mass 210.08921
InChI InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
InChIKey VUGQIIQFXCXZJU-UHFFFAOYSA-N
SMILES COc1cc(cc(OC)c1OC)C(C)=O
ChEBI Ontology
Outgoing 3,4,5-trimethoxyacetophenone (CHEBI:86547) has functional parent acetophenone (CHEBI:27632)
3,4,5-trimethoxyacetophenone (CHEBI:86547) is a acetophenones (CHEBI:22187)
3,4,5-trimethoxyacetophenone (CHEBI:86547) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
1-(3,4,5-trimethoxyphenyl)ethan-1-one
Registry Numbers Types Sources
1136-86-3 CAS Registry Number ChemIDplus
1136-86-3 CAS Registry Number NIST Chemistry WebBook
1463133 Reaxys Registry Number Reaxys
Last Modified
20 July 2015